G118-0685 Screening compound: N~5~-(4-bromo-2-fluorophenyl)-4-isopropyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-0685 Screening compound: N~5~-(4-bromo-2-fluorophenyl)-4-isopropyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-0685 Screening compound: N~5~-(4-bromo-2-fluorophenyl)-4-isopropyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-0685
N~5~-(4-bromo-2-fluorophenyl)-4-isopropyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G118-0685

Molecular Formula

C22H21BrFN3O (C22 H21 BrFN3 O)

Compound Name

N~5~-(4-bromo-2-fluorophenyl)-4-isopropyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-7-(propan-2-yl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

CC(C)C(c1cccn1-c1c(C2)cccc1)N2C(Nc(ccc(Br)c1)c1F)=O

InChI

InChI=1S/C22H21BrFN3O/c1-14(2)21-20-8-5-11-26(20)19-7-4-3-6-15(19)13-27(21)22(28)25-18-10-9-16(23)12-17(18)24/h3-12,14,21H,13H2,1-2H3,(H,25,28)/t21-/m0/s1

InChI Key

NETPCUOXOLGFMV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14981262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.316

Distribution Coefficient, logD

6.316

Water Solubility, LogSw

-5.41

Polar Surface Area

26.145

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

G118-0685 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G118-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-0685?
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What is the minimum amount of G118-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-0685
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G118-0685 available by request